dimethyl 5-[[1-(naphthalen-1-ylmethyl)piperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(naphthalen-1-ylmethyl)piperidin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(1-naphthylmethyl)piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(1-naphthalenylmethyl)-3-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(naphthalen-1-ylmethyl)piperidine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(1-naphthylmethyl)nipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN(C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCN(C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C27H28N2O5/c1-33-26(31)21-13-22(27(32)34-2)15-23(14-21)28-25(30)20-10-6-12-29(17-20)16-19-9-5-8-18-7-3-4-11-24(18)19/h3-5,7-9,11,13-15,20H,6,10,12,16-17H2,1-2H3,(H,28,30)